N-(3-methylbutyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide

Systemtic Name: N-(3-methylbutyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: N-isopentyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: N-(3-methylbutyl)-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: N-(3-methylbutyl)-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: N-isoamyl-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C12H26N3O3S+ MolecularWeight: 292.41814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CCS(=O)(=O)N1CC[NH2+]CC1

Isomeric SMILES

CC(C)CCNC(=O)CCS(=O)(=O)N1CC[NH2+]CC1

InChI

InChI=1S/C12H25N3O3S/c1-11(2)3-5-14-12(16)4-10-19(17,18)15-8-6-13-7-9-15/h11,13H,3-10H2,1-2H3,(H,14,16)/p+1